Publications

Order by: publication date number of citations

• Quantum revivals in HgTe/CdTe quantum wells and topological phase transitions

  Alberto Mayorgas, Manuel Calixto, Nicolás A. Cordero, Elvira Romera, Octavio Héctor Castaños Garza

  SciPost Phys. Core 7, 029 (2024) · published 13 May 2024 | Toggle abstract · pdf

  The time evolution of a wave packet is a tool to detect topological phase transitions in two-dimensional Dirac materials, such as graphene and silicene. Here we extend the analysis to HgTe/CdTe quantum wells and study the evolution of their electron current wave packet, using 2D effective Dirac Hamiltonians and different layer thicknesses. We show that the two different periodicities that appear in this temporal evolution reach a minimum near the critical thickness, where the system goes from normal to inverted regime. Moreover, the maximum of the electron current amplitude changes with the layer thickness, identifying that current maxima reach their higher value at the critical thickness. Thus, we can characterize the topological phase transitions in terms of the periodicity and amplitude of the electron currents.

  1 citation

• A time-dependent momentum-resolved scattering approach to core-level spectroscopies

  Krissia Zawadzki, Alberto Nocera, Adrian E. Feiguin

  SciPost Phys. 15, 166 (2023) · published 17 October 2023 | Toggle abstract · pdf

  While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.

  1 citation

• Seven Études on dynamical Keldysh model

  Dmitri V. Efremov, Mikhail N. Kiselev

  SciPost Phys. Lect. Notes 65 (2022) · published 6 December 2022 | Toggle abstract · pdf

  We present a comprehensive pedagogical discussion of a family of models describing the propagation of a single particle in a multicomponent non-Markovian Gaussian random field. We report some exact results for single-particle Green's functions, self-energy, vertex part and T-matrix. These results are based on a closed form solution of the Dyson equation combined with the Ward identity. Analytical properties of the solution are discussed. Further we describe the combinatorics of the Feynman diagrams for the Green's function and the skeleton diagrams for the self-energy and vertex, using recurrence relations between the Taylor expansion coefficients of the self-energy. Asymptotically exact equations for the number of skeleton diagrams in the limit of large $N$ are derived. Finally, we consider possible realizations of a multicomponent Gaussian random potential in quantum transport via complex quantum dot experiments.

  1 citation

• DFT2kp: Effective kp models from ab-initio data

  João Victor V. Cassiano, Augusto de Lelis Araújo, Paulo E. Faria Junior, Gerson J. Ferreira

  SciPost Phys. Codebases 25 (2024) · published 5 February 2024 | Toggle abstract · pdf

  The $k\cdot p$ method, combined with group theory, is an efficient approach to obtain the low energy effective Hamiltonians of crystalline materials. Although the Hamiltonian coefficients are written as matrix elements of the generalized momentum operator $\pi= p+ p_{SOC}$ (including spin-orbit coupling corrections), their numerical values must be determined from outside sources, such as experiments or ab initio methods. Here, we develop a code to explicitly calculate the Kane (linear in crystal momentum) and Luttinger (quadratic in crystal momentum) parameters of $k\cdot p$ effective Hamiltonians directly from ab initio wavefunctions provided by Quantum ESPRESSO. Additionally, the code analyzes the symmetry transformations of the wavefunctions to optimize the final Hamiltonian. This is an optional step in the code, where it numerically finds the unitary transformation $U$ that rotates the basis towards an optimal symmetry-adapted representation informed by the user. Throughout the paper, we present the methodology in detail and illustrate the capabilities of the code applying it to a selection of relevant materials. Particularly, we show a "hands-on" example of how to run the code for graphene (with and without spin-orbit coupling). The code is open source and available at https://gitlab.com/dft2kp/dft2kp.

  1 citation

• Codebase release 0.0 for DFT2kp

  João Victor V. Cassiano, Augusto de Lelis Araújo, Paulo E. Faria Junior, Gerson J. Ferreira

  SciPost Phys. Codebases 25-r0.0 (2024) · published 5 February 2024 | Toggle abstract · src

  The $k\cdot p$ method, combined with group theory, is an efficient approach to obtain the low energy effective Hamiltonians of crystalline materials. Although the Hamiltonian coefficients are written as matrix elements of the generalized momentum operator $\pi= p+ p_{SOC}$ (including spin-orbit coupling corrections), their numerical values must be determined from outside sources, such as experiments or ab initio methods. Here, we develop a code to explicitly calculate the Kane (linear in crystal momentum) and Luttinger (quadratic in crystal momentum) parameters of $k\cdot p$ effective Hamiltonians directly from ab initio wavefunctions provided by Quantum ESPRESSO. Additionally, the code analyzes the symmetry transformations of the wavefunctions to optimize the final Hamiltonian. This is an optional step in the code, where it numerically finds the unitary transformation $U$ that rotates the basis towards an optimal symmetry-adapted representation informed by the user. Throughout the paper, we present the methodology in detail and illustrate the capabilities of the code applying it to a selection of relevant materials. Particularly, we show a "hands-on" example of how to run the code for graphene (with and without spin-orbit coupling). The code is open source and available at https://gitlab.com/dft2kp/dft2kp.

  1 citation

• Anomaly of $(2+1)$-dimensional symmetry-enriched topological order from $(3+1)$-dimensional topological quantum field theory

  Weicheng Ye, Liujun Zou

  SciPost Phys. 15, 004 (2023) · published 10 July 2023 | Toggle abstract · pdf

  Symmetry acting on a (2+1)$D$ topological order can be anomalous in the sense that they possess an obstruction to being realized as a purely (2+1)$D$ on-site symmetry. In this paper, we develop a (3+1)$D$ topological quantum field theory to calculate the anomaly indicators of a (2+1)$D$ topological order with a general symmetry group $G$, which may be discrete or continuous, Abelian or non-Abelian, contain anti-unitary elements or not, and permute anyons or not. These anomaly indicators are partition functions of the (3+1)$D$ topological quantum field theory on a specific manifold equipped with some $G$-bundle, and they are expressed using the data characterizing the topological order and the symmetry actions. Our framework is applied to derive the anomaly indicators for various symmetry groups, including $\mathbb{Z}_2\times\mathbb{Z}_2$, $\mathbb{Z}_2^T\times\mathbb{Z}_2^T$, $SO(N)$, $O(N)^T$, $SO(N)\times \mathbb{Z}_2^T$, etc, where $\mathbb{Z}_2$ and $\mathbb{Z}_2^T$ denote a unitary and anti-unitary order-2 group, respectively, and $O(N)^T$ denotes a symmetry group $O(N)$ such that elements in $O(N)$ with determinant $-1$ are anti-unitary. In particular, we demonstrate that some anomaly of $O(N)^T$ and $SO(N)\times \mathbb{Z}_2^T$ exhibit symmetry-enforced gaplessness, i.e., they cannot be realized by any symmetry-enriched topological order. As a byproduct, for $SO(N)$ symmetric topological orders, we derive their $SO(N)$ Hall conductance.

  1 citation

• Exact one-particle density matrix for SU(N) fermionic matter-waves in the strong repulsive limit

  Andreas Osterloh, Juan Polo, Wayne J. Chetcuti, Luigi Amico

  SciPost Phys. 15, 006 (2023) · published 11 July 2023 | Toggle abstract · pdf

  We consider a gas of repulsive $N$-component fermions confined in a ring-shaped potential, subjected to an effective magnetic field. For large repulsion strengths, we work out a Bethe ansatz scheme to compute the two-point correlation matrix and then the one-particle density matrix. Our results hold in the mesoscopic regime of finite but sufficiently large number of particles and system size that are not accessible by numerics. We access the momentum distribution of the system and analyse its specific dependence of interaction, magnetic field and number of components $N$. In the context of cold atoms, the exact computation of the correlation matrix to determine the interference patterns that are produced by releasing cold atoms from ring traps is carried out.

  1 citation

• Gapful electrons in a vortex core in granular superconductors

  Dmitry E. Kiselov, Mikhail A. Skvortsov, Mikhail V. Feigel'man

  SciPost Phys. 15, 008 (2023) · published 12 July 2023 | Toggle abstract · pdf

  We calculate the quasiparticle density of states (DoS) inside the vortex core in a granular superconductor, generalizing the classical solution applicable for dirty superconductors. A discrete version of the Usadel equation for a vortex is derived and solved numerically for a broad range of parameters. Electron DoS is found to be gapful when the coherence length $\xi$ becomes comparable to the distance between neighboring grains $l$. Minigap magnitude $E_g$ grows from zero at $\xi \approx 1.4 l$ to third of superconducting gap $\Delta_0 $ at $\xi \approx 0.5 l$. The absence of low-energy excitations is the main ingredient needed to understand strong suppression of microwave dissipation recently observed in a mixed state of granular Al.

  1 citation

• divERGe implements various Exact Renormalization Group examples

  Jonas B. Profe, Dante M. Kennes, Lennart Klebl

  SciPost Phys. Codebases 26 (2024) · published 8 February 2024 | Toggle abstract · pdf

  We present divERGe, an open source, high-performance C/C++/Python library for functional renormalization group (FRG) calculations on lattice fermions. The versatile model interface is tailored to real materials applications and seamlessly integrates with existing, standard tools from the ab-initio community. The code fully supports multi-site, multi-orbital, and non-SU(2) models in all of the three included FRG variants: TU$^2$FRG, N-patch FRG, and grid FRG. With this, the divERGe library paves the way for widespread application of FRG as a tool in the study of competing orders in quantum materials.

  1 citation

• Codebase release 0.5 for divERGe

  Jonas B. Profe, Dante M. Kennes, Lennart Klebl

  SciPost Phys. Codebases 26-r0.5 (2024) · published 8 February 2024 | Toggle abstract · src

  We present divERGe, an open source, high-performance C/C++/Python library for functional renormalization group (FRG) calculations on lattice fermions. The versatile model interface is tailored to real materials applications and seamlessly integrates with existing, standard tools from the ab-initio community. The code fully supports multi-site, multi-orbital, and non-SU(2) models in all of the three included FRG variants: TU$^2$FRG, N-patch FRG, and grid FRG. With this, the divERGe library paves the way for widespread application of FRG as a tool in the study of competing orders in quantum materials.

  1 citation